Information card for entry 4501110

Structure parameters

• Formula: C27 H28 B Cd F4 N7 O4
• Calculated formula: C27 H25 B Cd F4 N7 O4
• Title of publication: Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand
• Authors of publication: Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 4876
• a: 11.8611 ± 0.0005 Å
• b: 13.0368 ± 0.0003 Å
• c: 18.4127 ± 0.0005 Å
• α: 90°
• β: 101.432 ± 0.004°
• γ: 90°
• Cell volume: 2790.68 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No